SCHEMBL28731684

SCHEMBL28731684

CC(C)c1c2cc(Br)ncc2nn1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ CDK4 P11802 4/20 0.31
▸ CCND1 P24385 4/20 0.31
▸ CDK6 Q00534 4/20 0.31
▸ CCNT1 O60563 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CCNH P51946 1/20 0.31
▸ MNAT1 P51948 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22650530 0.79 CCNT1 (0.32) ADORA3ADORA1CCNT1CDK2CDK9
SCHEMBL14912717 0.79 CHRM4 (0.36) —
SCHEMBL28731637 0.77 — —
SCHEMBL17459798 0.75 HTT (0.42) ADORA3ADORA1CDK4CCND1CDK6
SCHEMBL22650538 0.72 — —
SCHEMBL26129508 0.71 PAK4 (0.39) ADORA3ADORA1CDK9CDK8CDK7
SCHEMBL15341875 0.70 ADORA3 (0.38) ADORA3ADORA1CDK4CCND1CDK6
SCHEMBL25966728 0.70 KAT2B (0.35) ADORA3ADORA1
SCHEMBL19836555 0.68 NPC1 (0.38) ADORA3ADORA1CDK4CCND1CDK6
SCHEMBL18081416 0.68 LMNA (0.37) ADORA3ADORA1CDK4CCND1CDK6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040446-A CDK inhibitors 基因泰克公司 2025-05-27 — — CN disclosed
US-20220296595-A1 CDK INHIBITORS GENENTECH, INC. 2022-09-22 — — US disclosed
CN-114364675-A CDK inhibitors 上海齐鲁锐格医药研发有限公司 2022-04-15 — — CN disclosed
EP-3966213-A1 CDK INHIBITORS Qilu Regor Therapeutics Inc. (CN) 2022-03-16 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220296595-A1 CDK INHIBITORS CDKL1, CDK9, CDK6 ADORA3 4795/4885ADORA1 4594/4885CDK4 10/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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